6-bromanyl-4-phenyl-2-[[4-[2-(phenylsulfonyl)piperazin-1-yl]carbonylphenyl]methyl]-3-propanoyl-isoquinolin-1-one

Systemtic Name: 6-bromanyl-4-phenyl-2-[[4-[2-(phenylsulfonyl)piperazin-1-yl]carbonylphenyl]methyl]-3-propanoyl-isoquinolin-1-one Openeye Name: 2-[[4-[2-(benzenesulfonyl)piperazine-1-carbonyl]phenyl]methyl]-6-bromo-4-phenyl-3-propanoyl-isoquinolin-1-one CAS Name: 2-[[4-[[2-(benzenesulfonyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]-6-bromo-3-(1-oxopropyl)-4-phenyl-1-isoquinolinone IUPAC Name: 2-[[4-[2-(benzenesulfonyl)piperazine-1-carbonyl]phenyl]methyl]-6-bromo-4-phenyl-3-propanoylisoquinolin-1-one Traditional Name: 2-[4-(2-besylpiperazine-1-carbonyl)benzyl]-6-bromo-4-phenyl-3-propionyl-isocarbostyril Formula: C36H32BrN3O5S MolecularWeight: 698.62538

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CC3=CC=C(C=C3)C(=O)N4CCNCC4S(=O)(=O)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CC3=CC=C(C=C3)C(=O)N4CCNCC4S(=O)(=O)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C36H32BrN3O5S/c1-2-31(41)34-33(25-9-5-3-6-10-25)30-21-27(37)17-18-29(30)36(43)40(34)23-24-13-15-26(16-14-24)35(42)39-20-19-38-22-32(39)46(44,45)28-11-7-4-8-12-28/h3-18,21,32,38H,2,19-20,22-23H2,1H3